Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 930-947-3 | CAS number: 146987-98-6
Henry's Law constant
Administrative data
- Endpoint:
- Henry's law constant
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- supporting study
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- other: no information available whether the calculation model is validated for the substance under investigation
Data source
Reference
- Reference Type:
- other: unpublished calculation
- Title:
- Unnamed
- Year:
- 2 009
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Fatty acids, coco, reaction products with N,N-dimethyl-1,3-propanediamine represent a mixture containing C8-, C10-, C12-, C14-, C16-, and C18-alkyl side chains. Based on this and the variable composition of the compound (alkyl chain distribution dependent on origin of the coco fatty acid) the calculation of physico-chemical properties for the mixture is not feasible. To get a hint on the physico-chemical data, a calculation was conducted for the C8, C12 (with 40-60 percentages in a substance) and the C18 derivates. Henry's Law constants of the C8, C12 and C18 derivates were calculated using EPIWIN v4.0, HENRYWIN v3.20.
- GLP compliance:
- no
Test material
- Reference substance name:
- Amides, C8-18 even numbered, N-[3-(dimethylamino)propyl]
- EC Number:
- 930-947-3
- Cas Number:
- 146987-98-6
- Molecular formula:
- R-CO(NH)(CH2)(CH2)(CH2)N(Me2), whereas R=C8-18 (even numbered)
- IUPAC Name:
- Amides, C8-18 even numbered, N-[3-(dimethylamino)propyl]
Constituent 1
Results and discussion
Henry's Law constant Hopen allclose all
- H:
- 0 Pa m³/mol
- Temp.:
- 25 °C
- H:
- 0 Pa m³/mol
- Temp.:
- 25 °C
- H:
- 0 Pa m³/mol
- Temp.:
- 25 °C
Any other information on results incl. tables
Fatty acids, coco, reaction products with N,N-dimethyl-1,3-propanediamine represent a mixture containing C8-, C10-, C12-, C14-, C16-, and C18-alkyl side chains. Based on this and the variable composition of the compound (alkyl chain distribution dependent on origin of the coco fatty acid) the calculation of physico-chemical properties for the mixture is not feasible. To get a hint on the physico-chemical data, a calculation was conducted for the C8, C12 and the C18 derivates. Henry's Law constants of 1.2 x 10E-5 Pa x m³/mol (C8 derivate), 3.7 x 10E-5 Pa x m³/mol (C12 derivate) and 2 x 10E-4 Pa x m³/mol (C18 derivate, at 25°C each) were calculated using EPIWIN v4.0, HENRYWIN v3.20 (bond method). Based on the results, the C8, C12 and C18 derivate can be regarded as non-volatile from aqueous solution. Due to missing information about the applicability of the calculation model in respect to the substance under investigation the results and the conclusions thereof should be treated with care.
Applicant's summary and conclusion
- Conclusions:
- Fatty acids, coco, reaction products with N,N-dimethyl-1,3-propanediamine represent a mixture containing C8-, C10-, C12-, C14-, C16-, and C18-alkyl side chains. Based on this and the variable composition of the compound (alkyl chain distribution dependent on origin of the coco fatty acid) the calculation of physico-chemical properties for the mixture is not feasible. To get a hint on the physico-chemical data, a calculation was conducted for the C8, C12 and the C18 derivates. Henry's Law constants of 1.2 x 10E-5 Pa x m³/mol (C8 derivate), 3.7 x 10E-5 Pa x m³/mol (C12 derivate) and 2 x 10E-4 Pa x m³/mol (C18 derivate, at 25°C each) were calculated using EPIWIN v4.0, HENRYWIN v3.20 (bond method). Based on the results, the C8, C12 and C18 derivate can be regarded as non-volatile from aqueous solution. Due to missing information about the applicability of the calculation model in respect to the substance under investigation the results and the conclusions thereof should be treated with care.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
